N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-nitro-1H-indazol-3-amine

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-nitro-1H-indazol-3-amine Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-5-nitro-1H-indazol-3-amine CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-5-nitro-1H-indazol-3-amine IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-nitro-1H-indazol-3-amine Traditional Name: (5-nitro-1H-indazol-3-yl)-(1-piperonyl-4-piperidyl)amine Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NNC3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NC2=NNC3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N5O4/c26-25(27)15-2-3-17-16(10-15)20(23-22-17)21-14-5-7-24(8-6-14)11-13-1-4-18-19(9-13)29-12-28-18/h1-4,9-10,14H,5-8,11-12H2,(H2,21,22,23)